SCHEMBL8855467

SCHEMBL8855467

CC(C)OC(=O)n1c(C(F)(F)F)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DCTPP1 Q9H773 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8855512 0.93 ALDH1A1 (0.38) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL8855402 0.92 PLK1 (0.36) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL11639512 0.90 CYP3A4 (0.37) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL8855585 0.88 TDP1 (0.44) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL8855498 0.86 CYP3A4 (0.40) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL8855540 0.84 PLK1 (0.43) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL11642761 0.83 MAPT (0.37) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL11640778 0.83 PLK1 (0.38) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL8855554 0.82 MAPK1 (0.37) PLK1MAPTTDP1ALDH1A1CYP3A4
SCHEMBL8855527 0.81 CYP3A4 (0.41) PLK1MAPTTDP1ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US claimed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US claimed
US-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-4421759-A Methods for controlling fire ants ELI LILLY AND COMPANY (US) 1983-12-20 US disclosed
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed